#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:39:36 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179121 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/83/4308335.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4308335
loop_
_publ_author_name
'Nail M. Shavaleev'
'Gianluca Accorsi'
'Dalia Virgili'
'Zöe R. Bell'
'Theodore Lazarides'
'Giuseppe Calogero'
'Nicola Armaroli'
'Michael D. Ward'
_publ_contact_author
; 
        Prof. Mike Ward
        Department of Chemistry
        University of Sheffield
        SHEFFIELD
        S3 7HF
;
_publ_contact_author_email       m.d.ward@sheffield.ac.uk
_publ_contact_author_fax         '0114 2229346'
_publ_section_title
;
Syntheses and Crystal Structures of Dinuclear Complexes Containing d-Block
and f-Block Luminophores. Sensitization of NIR Luminescence from Yb(III),
Nd(III), and Er(III) Centers by Energy Transfer from Re(I)- and
Pt(II)-Bipyrimidine Metal Centers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              61
_journal_page_last               72
_journal_paper_doi               10.1021/ic048875s
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C41 H17 F24 Gd N4 O7 Pt, C6 H6'
_chemical_formula_sum            'C47 H23 F24 Gd N4 O7 Pt'
_chemical_formula_weight         1564.03
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.142(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.9826(17)
_cell_length_b                   11.2877(12)
_cell_length_c                   25.436(3)
_cell_measurement_reflns_used    314
_cell_measurement_temperature    173(2)
_cell_volume                     5420.1(10)
_computing_cell_refinement       'Bruker SAINT (Bruker, 1998)'
_computing_data_collection       'Bruker SMART (Bruker, 1998)'
_computing_data_reduction        'Bruker SHELXTL (Bruker, 1998)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker, 1998)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'Bruker SHELXTL (Bruker, 1998)'
_computing_structure_solution    'Bruker SHELXTL (Bruker, 1998)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.2
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'ω rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0561
_diffrn_reflns_av_sigmaI/netI    0.0724
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            34259
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.99
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.926
_exptl_absorpt_correction_T_max  0.68
_exptl_absorpt_correction_T_min  0.21
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.917
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2988
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.757
_refine_diff_density_min         -3.205
_refine_diff_density_rms         0.188
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     674
_refine_ls_number_reflns         12397
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0913
_refine_ls_R_factor_gt           0.0536
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0761P)²+19.7900P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1351
_refine_ls_wR_factor_ref         0.1541
_reflns_number_gt                8528
_reflns_number_total             12397
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic048875ssi20040816_105512_4.cif
_cod_data_source_block           grows
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        5420.1(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4308335
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.73914(2) 0.90490(3) 0.418451(16) 0.02925(11) Uani 1 1 d . . .
Pt1 Pt 0.467869(16) 1.11807(3) 0.454172(13) 0.02910(10) Uani 1 1 d . . .
F391 F 0.5170(6) 1.7877(9) 0.6821(5) 0.150(4) Uani 1 1 d . . .
F392 F 0.4424(7) 1.6984(6) 0.7119(3) 0.165(5) Uani 1 1 d . . .
F393 F 0.4106(5) 1.8128(5) 0.6439(3) 0.094(3) Uani 1 1 d . . .
F531 F 0.5711(3) 1.0616(6) 0.2327(2) 0.0636(16) Uani 1 1 d . . .
F532 F 0.6486(4) 0.9515(6) 0.2160(2) 0.0754(19) Uani 1 1 d . . .
F533 F 0.6514(4) 1.1394(6) 0.2057(3) 0.0726(18) Uani 1 1 d . . .
F571 F 0.8311(5) 1.3365(7) 0.3447(4) 0.110(3) Uani 1 1 d . . .
F572 F 0.8852(4) 1.2508(8) 0.4210(5) 0.147(5) Uani 1 1 d . . .
F573 F 0.7949(5) 1.3538(7) 0.4125(4) 0.122(3) Uani 1 1 d . . .
F731 F 0.8542(4) 0.8690(7) 0.2449(3) 0.084(2) Uani 1 1 d . . .
F732 F 0.8878(4) 0.9985(6) 0.3075(3) 0.083(2) Uani 1 1 d . . .
F733 F 0.9331(3) 0.8285(7) 0.3222(3) 0.087(2) Uani 1 1 d . . .
F771 F 0.7032(4) 0.5026(5) 0.3024(4) 0.090(2) Uani 1 1 d . . .
F772 F 0.6085(3) 0.6041(5) 0.2845(2) 0.0545(14) Uani 1 1 d . . .
F773 F 0.6676(4) 0.6086(7) 0.2282(3) 0.096(3) Uani 1 1 d . . .
O1 O 0.7057(3) 0.7921(5) 0.4895(2) 0.0427(14) Uani 1 1 d . . .
O51 O 0.6730(3) 0.9839(5) 0.3290(2) 0.0377(13) Uani 1 1 d . . .
O56 O 0.7763(3) 1.1032(5) 0.4105(3) 0.0407(14) Uani 1 1 d . . .
O61 O 0.8219(3) 0.7440(5) 0.4507(2) 0.0394(14) Uani 1 1 d . . .
O66 O 0.8269(3) 0.9602(5) 0.5011(3) 0.0448(15) Uani 1 1 d . . .
O71 O 0.8170(3) 0.8995(5) 0.3664(3) 0.0421(14) Uani 1 1 d . . .
O76 O 0.7004(3) 0.7438(5) 0.3557(2) 0.0369(13) Uani 1 1 d . . .
N11 N 0.6815(3) 1.0574(6) 0.4709(3) 0.0317(14) Uani 1 1 d . . .
N13 N 0.5768(4) 1.1373(6) 0.4829(3) 0.0323(15) Uani 1 1 d . . .
N21 N 0.5983(3) 0.9012(5) 0.3954(3) 0.0302(14) Uani 1 1 d . . .
N23 N 0.4973(3) 0.9895(5) 0.4081(3) 0.0294(14) Uani 1 1 d . . .
C12 C 0.6124(4) 1.0598(6) 0.4606(3) 0.0277(16) Uani 1 1 d . . .
C14 C 0.6166(5) 1.2174(7) 0.5182(4) 0.040(2) Uani 1 1 d . . .
H14A H 0.5940 1.2745 0.5340 0.048 Uiso 1 1 calc R . .
C15 C 0.6887(5) 1.2198(8) 0.5322(4) 0.047(2) Uani 1 1 d . . .
H15A H 0.7165 1.2757 0.5581 0.056 Uiso 1 1 calc R . .
C16 C 0.7192(5) 1.1388(8) 0.5075(4) 0.041(2) Uani 1 1 d . . .
H16A H 0.7693 1.1396 0.5164 0.049 Uiso 1 1 calc R . .
C21 C 0.5674(4) 0.9770(6) 0.4195(3) 0.0269(16) Uani 1 1 d . . .
C24 C 0.4539(4) 0.9199(7) 0.3685(4) 0.0365(19) Uani 1 1 d . . .
H24A H 0.4040 0.9269 0.3594 0.044 Uiso 1 1 calc R . .
C25 C 0.4822(4) 0.8380(8) 0.3411(4) 0.040(2) Uani 1 1 d . . .
H25A H 0.4524 0.7888 0.3127 0.048 Uiso 1 1 calc R . .
C26 C 0.5551(4) 0.8298(8) 0.3563(3) 0.0385(19) Uani 1 1 d . . .
H26A H 0.5753 0.7723 0.3387 0.046 Uiso 1 1 calc R . .
C31 C 0.4512(4) 1.2468(7) 0.4991(4) 0.0365(19) Uani 1 1 d . . .
C32 C 0.4469(5) 1.3291(7) 0.5277(4) 0.0385(19) Uani 1 1 d . . .
C33 C 0.4480(5) 1.4332(7) 0.5613(4) 0.0375(19) Uani 1 1 d . . .
C34 C 0.3907(5) 1.4593(9) 0.5797(4) 0.054(3) Uani 1 1 d . . .
H34A H 0.3500 1.4100 0.5693 0.064 Uiso 1 1 calc R . .
C35 C 0.3938(6) 1.5571(8) 0.6131(4) 0.052(3) Uani 1 1 d . . .
H35A H 0.3544 1.5762 0.6247 0.062 Uiso 1 1 calc R . .
C36 C 0.4531(5) 1.6266(7) 0.6296(4) 0.044(2) Uani 1 1 d . . .
C37 C 0.5098(5) 1.6023(8) 0.6107(4) 0.043(2) Uani 1 1 d . . .
H37A H 0.5503 1.6524 0.6211 0.052 Uiso 1 1 calc R . .
C38 C 0.5069(5) 1.5061(7) 0.5771(4) 0.041(2) Uani 1 1 d . . .
H38A H 0.5457 1.4893 0.5645 0.049 Uiso 1 1 calc R . .
C39 C 0.4556(8) 1.7271(9) 0.6673(5) 0.071(3) Uani 1 1 d . . .
C41 C 0.3674(5) 1.0926(7) 0.4192(3) 0.0360(19) Uani 1 1 d . . .
C42 C 0.3053(5) 1.0729(9) 0.3924(4) 0.046(2) Uani 1 1 d . . .
C43 C 0.2359(5) 1.0532(12) 0.3553(4) 0.061(3) Uani 1 1 d . . .
C44 C 0.1840(6) 1.1425(13) 0.3432(6) 0.089(5) Uani 1 1 d . . .
H44A H 0.1938 1.2174 0.3612 0.107 Uiso 1 1 calc R . .
C45 C 0.1190(8) 1.1187(18) 0.3049(8) 0.116(7) Uani 1 1 d . . .
H45A H 0.0827 1.1768 0.2979 0.139 Uiso 1 1 calc R . .
C46 C 0.1047(7) 1.013(2) 0.2761(6) 0.114(8) Uani 1 1 d . A .
C47 C 0.1526(7) 0.9284(18) 0.2868(6) 0.101(5) Uani 1 1 d . . .
H47A H 0.1422 0.8551 0.2675 0.121 Uiso 1 1 calc R . .
C48 C 0.2186(7) 0.9470(14) 0.3266(5) 0.077(4) Uani 1 1 d . . .
H48A H 0.2528 0.8853 0.3343 0.092 Uiso 1 1 calc R . .
C52 C 0.6861(5) 1.0642(8) 0.2985(4) 0.042(2) Uani 1 1 d . . .
C53 C 0.6381(5) 1.0538(9) 0.2372(4) 0.047(2) Uani 1 1 d . . .
C54 C 0.7356(5) 1.1522(8) 0.3146(4) 0.045(2) Uani 1 1 d . . .
H54A H 0.7427 1.2036 0.2873 0.053 Uiso 1 1 calc R . .
C55 C 0.7761(5) 1.1679(8) 0.3706(4) 0.045(2) Uani 1 1 d . . .
C57 C 0.8247(6) 1.2768(10) 0.3868(6) 0.068(3) Uani 1 1 d . . .
C62 C 0.8864(5) 0.7450(8) 0.4796(4) 0.046(2) Uani 1 1 d . B .
C63 C 0.9256(6) 0.6355(10) 0.4712(5) 0.065(3) Uiso 1 1 d . . .
C64 C 0.9239(5) 0.8312(9) 0.5148(5) 0.059(3) Uani 1 1 d . . .
H64A H 0.9733 0.8212 0.5335 0.070 Uiso 1 1 calc R B .
C65 C 0.8904(6) 0.9320(9) 0.5232(4) 0.054(3) Uani 1 1 d . B .
C72 C 0.8162(5) 0.8452(9) 0.3235(4) 0.043(2) Uani 1 1 d . . .
C73 C 0.8731(6) 0.8856(10) 0.2987(4) 0.053(3) Uani 1 1 d . . .
C74 C 0.7711(5) 0.7531(8) 0.2970(4) 0.046(2) Uani 1 1 d . . .
H74A H 0.7775 0.7183 0.2649 0.055 Uiso 1 1 calc R . .
C75 C 0.7183(5) 0.7106(7) 0.3148(4) 0.039(2) Uani 1 1 d . . .
C77 C 0.6743(6) 0.6074(9) 0.2820(4) 0.052(2) Uani 1 1 d . . .
C101 C 1.2532(9) 1.5093(13) 0.3800(6) 0.093(4) Uani 1 1 d . . .
H10A H 1.2843 1.4826 0.3612 0.111 Uiso 1 1 calc R . .
C102 C 1.2631(7) 1.4739(12) 0.4315(6) 0.078(4) Uani 1 1 d . . .
H10B H 1.3027 1.4255 0.4499 0.093 Uiso 1 1 calc R . .
C103 C 1.2173(8) 1.5058(13) 0.4587(7) 0.096(5) Uani 1 1 d . . .
H10C H 1.2234 1.4750 0.4947 0.115 Uiso 1 1 calc R . .
C104 C 1.1635(8) 1.5811(14) 0.4346(7) 0.094(5) Uani 1 1 d . . .
H10D H 1.1326 1.6072 0.4537 0.113 Uiso 1 1 calc R . .
C105 C 1.1546(9) 1.6204(14) 0.3791(7) 0.108(6) Uani 1 1 d . . .
H10E H 1.1168 1.6727 0.3609 0.129 Uiso 1 1 calc R . .
C106 C 1.1982(2) 1.5845(4) 0.35310(18) 0.115(7) Uani 1 1 d . . .
H10F H 1.1918 1.6103 0.3162 0.139 Uiso 1 1 calc R . .
F91 F 0.0314(2) 1.0552(4) 0.18582(18) 0.103(7) Uiso 0.49(2) 1 d PR A 1
F92 F -0.0179(2) 1.0955(4) 0.24214(18) 0.132(8) Uiso 0.49(2) 1 d PR A 1
F93 F 0.0083(2) 0.9079(4) 0.23602(18) 0.115(8) Uiso 0.49(2) 1 d PR A 1
F91' F 0.0346(2) 1.0060(4) 0.17912(18) 0.113(7) Uiso 0.51(2) 1 d PR A 2
F92' F -0.0185(2) 1.0299(4) 0.23712(18) 0.116(7) Uiso 0.51(2) 1 d PR A 2
F93' F 0.0136(2) 0.8688(4) 0.22092(18) 0.198(13) Uiso 0.51(2) 1 d PR A 2
F31 F 0.9780(2) 0.6002(4) 0.52792(18) 0.118(7) Uiso 0.515(18) 1 d PR B 1
F32 F 0.9004(2) 0.5392(4) 0.47052(18) 0.077(5) Uiso 0.515(18) 1 d PR B 1
F33 F 0.9752(2) 0.6569(4) 0.44823(18) 0.084(5) Uiso 0.515(18) 1 d PR B 1
F31' F 0.9782(2) 0.6247(4) 0.49633(18) 0.136(9) Uiso 0.485(18) 1 d PR B 2
F32' F 0.8877(2) 0.5477(4) 0.45232(18) 0.087(6) Uiso 0.485(18) 1 d PR B 2
F33' F 0.9354(2) 0.6422(4) 0.42733(18) 0.161(10) Uiso 0.485(18) 1 d PR B 2
F71 F 0.9166(2) 1.0447(4) 0.60144(18) 0.128(8) Uiso 0.488(18) 1 d PR B 1
F72 F 0.9937(2) 0.9806(4) 0.60454(18) 0.219(14) Uiso 0.488(18) 1 d PR B 1
F73 F 0.9549(2) 1.0994(4) 0.54162(18) 0.142(9) Uiso 0.488(18) 1 d PR B 1
F71' F 0.8971(2) 1.0752(4) 0.59772(18) 0.091(6) Uiso 0.512(18) 1 d PR B 2
F72' F 0.9975(2) 1.0120(4) 0.57273(18) 0.092(6) Uiso 0.512(18) 1 d PR B 2
F73' F 0.9293(2) 1.1333(4) 0.54134(18) 0.102(6) Uiso 0.512(18) 1 d PR B 2
C49 C 0.0309 1.0060 0.2371 0.050 Uiso 1 1 d . . .
C67 C 0.9335 1.0195 0.5677 0.050 Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O66 Gd1 O71 94.2(2) . . ?
O66 Gd1 O76 142.35(19) . . ?
O71 Gd1 O76 74.5(2) . . ?
O66 Gd1 O56 70.3(2) . . ?
O71 Gd1 O56 72.3(2) . . ?
O76 Gd1 O56 134.7(2) . . ?
O66 Gd1 O51 140.5(2) . . ?
O71 Gd1 O51 74.7(2) . . ?
O76 Gd1 O51 71.95(19) . . ?
O56 Gd1 O51 70.2(2) . . ?
O66 Gd1 O61 70.6(2) . . ?
O71 Gd1 O61 70.4(2) . . ?
O76 Gd1 O61 71.8(2) . . ?
O56 Gd1 O61 122.5(2) . . ?
O51 Gd1 O61 134.90(19) . . ?
O66 Gd1 O1 77.5(2) . . ?
O71 Gd1 O1 141.7(2) . . ?
O76 Gd1 O1 89.4(2) . . ?
O56 Gd1 O1 135.2(2) . . ?
O51 Gd1 O1 133.46(19) . . ?
O61 Gd1 O1 71.53(19) . . ?
O66 Gd1 N11 72.3(2) . . ?
O71 Gd1 N11 140.8(2) . . ?
O76 Gd1 N11 137.13(19) . . ?
O56 Gd1 N11 68.5(2) . . ?
O51 Gd1 N11 92.35(19) . . ?
O61 Gd1 N11 132.7(2) . . ?
O1 Gd1 N11 72.6(2) . . ?
O66 Gd1 N21 128.7(2) . . ?
O71 Gd1 N21 135.9(2) . . ?
O76 Gd1 N21 75.72(18) . . ?
O56 Gd1 N21 109.2(2) . . ?
O51 Gd1 N21 65.52(19) . . ?
O61 Gd1 N21 128.04(19) . . ?
O1 Gd1 N21 68.7(2) . . ?
N11 Gd1 N21 61.56(19) . . ?
C41 Pt1 C31 91.7(3) . . ?
C41 Pt1 N13 173.1(3) . . ?
C31 Pt1 N13 94.4(3) . . ?
C41 Pt1 N23 94.6(3) . . ?
C31 Pt1 N23 173.3(3) . . ?
N13 Pt1 N23 79.2(2) . . ?
C52 O51 Gd1 133.1(6) . . ?
C55 O56 Gd1 134.3(6) . . ?
C62 O61 Gd1 130.5(6) . . ?
C65 O66 Gd1 133.5(6) . . ?
C72 O71 Gd1 133.2(6) . . ?
C75 O76 Gd1 131.5(5) . . ?
C12 N11 C16 115.8(7) . . ?
C12 N11 Gd1 120.7(5) . . ?
C16 N11 Gd1 123.4(5) . . ?
C14 N13 C12 115.9(7) . . ?
C14 N13 Pt1 129.3(5) . . ?
C12 N13 Pt1 114.7(5) . . ?
C21 N21 C26 116.5(7) . . ?
C21 N21 Gd1 120.4(5) . . ?
C26 N21 Gd1 122.9(5) . . ?
C21 N23 C24 118.1(6) . . ?
C21 N23 Pt1 115.0(5) . . ?
C24 N23 Pt1 126.9(5) . . ?
N11 C12 N13 125.9(7) . . ?
N11 C12 C21 119.0(6) . . ?
N13 C12 C21 115.0(7) . . ?
N13 C14 C15 122.2(8) . . ?
N13 C14 H14A 118.9 . . ?
C15 C14 H14A 118.9 . . ?
C16 C15 C14 117.4(8) . . ?
C16 C15 H15A 121.3 . . ?
C14 C15 H15A 121.3 . . ?
N11 C16 C15 122.9(8) . . ?
N11 C16 H16A 118.6 . . ?
C15 C16 H16A 118.6 . . ?
N21 C21 N23 125.7(7) . . ?
N21 C21 C12 118.2(7) . . ?
N23 C21 C12 116.0(6) . . ?
N23 C24 C25 119.8(8) . . ?
N23 C24 H24A 120.1 . . ?
C25 C24 H24A 120.1 . . ?
C26 C25 C24 118.1(8) . . ?
C26 C25 H25A 120.9 . . ?
C24 C25 H25A 120.9 . . ?
N21 C26 C25 121.8(7) . . ?
N21 C26 H26A 119.1 . . ?
C25 C26 H26A 119.1 . . ?
C32 C31 Pt1 174.3(8) . . ?
C31 C32 C33 174.3(9) . . ?
C38 C33 C34 119.2(8) . . ?
C38 C33 C32 119.9(7) . . ?
C34 C33 C32 120.8(8) . . ?
C35 C34 C33 119.8(10) . . ?
C35 C34 H34A 120.1 . . ?
C33 C34 H34A 120.1 . . ?
C36 C35 C34 120.4(9) . . ?
C36 C35 H35A 119.8 . . ?
C34 C35 H35A 119.8 . . ?
C35 C36 C37 120.1(8) . . ?
C35 C36 C39 118.7(10) . . ?
C37 C36 C39 121.1(10) . . ?
C38 C37 C36 119.8(9) . . ?
C38 C37 H37A 120.1 . . ?
C36 C37 H37A 120.1 . . ?
C37 C38 C33 120.6(8) . . ?
C37 C38 H38A 119.7 . . ?
C33 C38 H38A 119.7 . . ?
F392 C39 F393 106.0(11) . . ?
F392 C39 F391 108.3(12) . . ?
F393 C39 F391 100.2(10) . . ?
F392 C39 C36 113.9(9) . . ?
F393 C39 C36 113.4(10) . . ?
F391 C39 C36 113.9(11) . . ?
C42 C41 Pt1 173.5(7) . . ?
C41 C42 C43 172.8(9) . . ?
C48 C43 C44 117.8(12) . . ?
C48 C43 C42 120.5(11) . . ?
C44 C43 C42 121.6(13) . . ?
C45 C44 C43 118.3(16) . . ?
C45 C44 H44A 120.9 . . ?
C43 C44 H44A 120.9 . . ?
C44 C45 C46 121.9(16) . . ?
C44 C45 H45A 119.0 . . ?
C46 C45 H45A 119.0 . . ?
C47 C46 C45 120.5(14) . . ?
C47 C46 C49 127(2) . . ?
C45 C46 C49 112.8(18) . . ?
C46 C47 C48 119.6(18) . . ?
C46 C47 H47A 120.2 . . ?
C48 C47 H47A 120.2 . . ?
C43 C48 C47 121.8(15) . . ?
C43 C48 H48A 119.1 . . ?
C47 C48 H48A 119.1 . . ?
O51 C52 C54 127.3(8) . . ?
O51 C52 C53 112.2(8) . . ?
C54 C52 C53 120.5(8) . . ?
F531 C53 F532 108.6(9) . . ?
F531 C53 F533 107.3(7) . . ?
F532 C53 F533 107.4(8) . . ?
F531 C53 C52 111.3(8) . . ?
F532 C53 C52 110.4(7) . . ?
F533 C53 C52 111.7(9) . . ?
C52 C54 C55 121.1(8) . . ?
C52 C54 H54A 119.4 . . ?
C55 C54 H54A 119.4 . . ?
O56 C55 C54 126.9(9) . . ?
O56 C55 C57 114.6(9) . . ?
C54 C55 C57 118.5(9) . . ?
F572 C57 F571 110.7(11) . . ?
F572 C57 F573 106.8(12) . . ?
F571 C57 F573 104.1(10) . . ?
F572 C57 C55 112.0(9) . . ?
F571 C57 C55 114.7(11) . . ?
F573 C57 C55 107.9(9) . . ?
O61 C62 C64 128.8(9) . . ?
O61 C62 C63 112.9(9) . . ?
C64 C62 C63 118.3(9) . . ?
F31' C63 F32 103.8(10) . . ?
F31' C63 F33' 97.9(10) . . ?
F32 C63 F33' 103.9(9) . . ?
F31' C63 F32' 120.5(11) . . ?
F33' C63 F32' 87.4(8) . . ?
F31' C63 F33 62.8(6) . . ?
F32 C63 F33 122.0(10) . . ?
F32' C63 F33 115.0(9) . . ?
F31' C63 C62 118.2(11) . . ?
F32 C63 C62 120.6(10) . . ?
F33' C63 C62 109.2(9) . . ?
F32' C63 C62 115.3(10) . . ?
F33 C63 C62 114.1(9) . . ?
F32 C63 F31 86.1(7) . . ?
F33' C63 F31 128.6(10) . . ?
F32' C63 F31 107.4(8) . . ?
F33 C63 F31 94.8(7) . . ?
C62 C63 F31 107.8(9) . . ?
C62 C64 C65 120.0(9) . . ?
C62 C64 H64A 120.0 . . ?
C65 C64 H64A 120.0 . . ?
O66 C65 C64 128.1(9) . . ?
O66 C65 C67 114.2(8) . . ?
C64 C65 C67 117.6(8) . . ?
O71 C72 C74 127.5(8) . . ?
O71 C72 C73 114.5(9) . . ?
C74 C72 C73 118.0(8) . . ?
F731 C73 F732 106.9(9) . . ?
F731 C73 F733 108.1(8) . . ?
F732 C73 F733 106.1(9) . . ?
F731 C73 C72 112.9(9) . . ?
F732 C73 C72 111.8(8) . . ?
F733 C73 C72 110.7(9) . . ?
C75 C74 C72 123.2(8) . . ?
C75 C74 H74A 118.4 . . ?
C72 C74 H74A 118.4 . . ?
O76 C75 C74 128.9(9) . . ?
O76 C75 C77 114.1(8) . . ?
C74 C75 C77 117.0(8) . . ?
F773 C77 F772 106.2(9) . . ?
F773 C77 F771 107.0(8) . . ?
F772 C77 F771 105.2(8) . . ?
F773 C77 C75 113.5(8) . . ?
F772 C77 C75 113.1(7) . . ?
F771 C77 C75 111.3(9) . . ?
C102 C101 C106 120.9(13) . . ?
C102 C101 H10A 119.6 . . ?
C106 C101 H10A 119.6 . . ?
C101 C102 C103 121.1(15) . . ?
C101 C102 H10B 119.5 . . ?
C103 C102 H10B 119.5 . . ?
C104 C103 C102 120.2(15) . . ?
C104 C103 H10C 119.9 . . ?
C102 C103 H10C 119.9 . . ?
C103 C104 C105 117.8(16) . . ?
C103 C104 H10D 121.1 . . ?
C105 C104 H10D 121.1 . . ?
C106 C105 C104 120.6(15) . . ?
C106 C105 H10E 119.7 . . ?
C104 C105 H10E 119.7 . . ?
C105 C106 C101 119.4(10) . . ?
C105 C106 H10F 120.3 . . ?
C101 C106 H10F 120.3 . . ?
F32' F33' F31' 72.0 . . ?
C67 F71 F72 52.5(2) . . ?
F92' C49 F93 83.5(3) . . ?
F92' C49 F91 101.2(3) . . ?
F93 C49 F91 117.3(3) . . ?
F93 C49 F92 113.0(3) . . ?
F91 C49 F92 90.9(3) . . ?
F92' C49 C46 137.1(9) . . ?
F93 C49 C46 110.5(9) . . ?
F91 C49 C46 106.8(5) . . ?
F92 C49 C46 117.2(11) . . ?
F92' C49 F91' 111.0(3) . . ?
F93 C49 F91' 96.8(3) . . ?
F92 C49 F91' 109.9(3) . . ?
C46 C49 F91' 107.4(6) . . ?
F92' C49 F93' 97.3(3) . . ?
F91 C49 F93' 101.9(2) . . ?
F92 C49 F93' 127.1(3) . . ?
C46 C49 F93' 107.7(10) . . ?
F91' C49 F93' 79.90(19) . . ?
F71 C67 F72' 121.6(4) . . ?
F71 C67 F73 118.8(4) . . ?
F72' C67 F73 65.99(18) . . ?
F71 C67 F72 88.4(3) . . ?
F73 C67 F72 102.7(3) . . ?
F72' C67 F71' 133.6(3) . . ?
F73 C67 F71' 107.2(3) . . ?
F72 C67 F71' 106.3(3) . . ?
F71 C67 F73' 98.7(3) . . ?
F72' C67 F73' 90.5(2) . . ?
F72 C67 F73' 121.5(3) . . ?
F71' C67 F73' 83.6(2) . . ?
F71 C67 C65 121.3(5) . . ?
F72' C67 C65 110.0(4) . . ?
F73 C67 C65 106.0(5) . . ?
F72 C67 C65 117.7(4) . . ?
F71' C67 C65 115.8(4) . . ?
F73' C67 C65 107.3(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Gd1 O66 2.338(6) . ?
Gd1 O71 2.351(5) . ?
Gd1 O76 2.375(5) . ?
Gd1 O56 2.388(6) . ?
Gd1 O51 2.397(6) . ?
Gd1 O61 2.412(5) . ?
Gd1 O1 2.475(6) . ?
Gd1 N11 2.660(6) . ?
Gd1 N21 2.680(6) . ?
Pt1 C41 1.932(9) . ?
Pt1 C31 1.944(8) . ?
Pt1 N13 2.067(7) . ?
Pt1 N23 2.069(6) . ?
F391 C39 1.346(15) . ?
F392 C39 1.287(14) . ?
F393 C39 1.321(13) . ?
F531 C53 1.309(11) . ?
F532 C53 1.320(11) . ?
F533 C53 1.336(11) . ?
F571 C57 1.305(13) . ?
F572 C57 1.272(13) . ?
F573 C57 1.339(15) . ?
F731 C73 1.308(12) . ?
F732 C73 1.311(11) . ?
F733 C73 1.320(12) . ?
F771 C77 1.342(12) . ?
F772 C77 1.339(11) . ?
F773 C77 1.331(12) . ?
O51 C52 1.275(10) . ?
O56 C55 1.250(11) . ?
O61 C62 1.257(10) . ?
O66 C65 1.249(11) . ?
O71 C72 1.249(10) . ?
O76 C75 1.263(9) . ?
N11 C12 1.318(9) . ?
N11 C16 1.348(10) . ?
N13 C14 1.337(10) . ?
N13 C12 1.364(9) . ?
N21 C21 1.318(9) . ?
N21 C26 1.349(10) . ?
N23 C21 1.340(9) . ?
N23 C24 1.346(10) . ?
C12 C21 1.470(11) . ?
C14 C15 1.368(12) . ?
C14 H14A 0.9500 . ?
C15 C16 1.361(12) . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
C24 C25 1.385(12) . ?
C24 H24A 0.9500 . ?
C25 C26 1.382(11) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9500 . ?
C31 C32 1.199(11) . ?
C32 C33 1.449(12) . ?
C33 C38 1.384(12) . ?
C33 C34 1.403(12) . ?
C34 C35 1.382(13) . ?
C34 H34A 0.9500 . ?
C35 C36 1.368(14) . ?
C35 H35A 0.9500 . ?
C36 C37 1.396(13) . ?
C36 C39 1.476(13) . ?
C37 C38 1.373(12) . ?
C37 H37A 0.9500 . ?
C38 H38A 0.9500 . ?
C41 C42 1.224(12) . ?
C42 C43 1.416(14) . ?
C43 C48 1.387(17) . ?
C43 C44 1.405(17) . ?
C44 C45 1.37(2) . ?
C44 H44A 0.9500 . ?
C45 C46 1.38(3) . ?
C45 H45A 0.9500 . ?
C46 C47 1.32(2) . ?
C46 C49 1.485(13) . ?
C47 C48 1.388(17) . ?
C47 H47A 0.9500 . ?
C48 H48A 0.9500 . ?
C52 C54 1.367(13) . ?
C52 C53 1.543(13) . ?
C54 C55 1.400(13) . ?
C54 H54A 0.9500 . ?
C55 C57 1.537(14) . ?
C62 C64 1.368(14) . ?
C62 C63 1.514(14) . ?
C63 F31' 1.043(13) . ?
C63 F32 1.195(12) . ?
C63 F33' 1.198(13) . ?
C63 F32' 1.244(12) . ?
C63 F33 1.328(12) . ?
C63 F31 1.531(13) . ?
C64 C65 1.373(14) . ?
C64 H64A 0.9500 . ?
C65 C67 1.535(10) . ?
C72 C74 1.396(13) . ?
C72 C73 1.538(12) . ?
C74 C75 1.366(12) . ?
C74 H74A 0.9500 . ?
C75 C77 1.532(13) . ?
C101 C102 1.322(18) . ?
C101 C106 1.379(18) . ?
C101 H10A 0.9500 . ?
C102 C103 1.362(18) . ?
C102 H10B 0.9500 . ?
C103 C104 1.350(19) . ?
C103 H10C 0.9500 . ?
C104 C105 1.43(2) . ?
C104 H10D 0.9500 . ?
C105 C106 1.32(2) . ?
C105 H10E 0.9500 . ?
C106 H10F 0.9500 . ?
F91 C49 1.421(4) . ?
F92 C49 1.439(4) . ?
F93 C49 1.193(4) . ?
F91' C49 1.500(4) . ?
F92' C49 1.024(4) . ?
F93' C49 1.610(4) . ?
F31' F33' 1.6931 . ?
F32' F33' 1.6875 . ?
F71 C67 1.060(4) . ?
F71 F72 1.6804 . ?
F72 C67 1.334(4) . ?
F73 C67 1.274(4) . ?
F71' C67 1.369(4) . ?
F72' C67 1.245(4) . ?
F73' C67 1.439(4) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O66 Gd1 O51 C52 27.5(8) . . . . ?
O71 Gd1 O51 C52 -50.3(7) . . . . ?
O76 Gd1 O51 C52 -128.6(7) . . . . ?
O56 Gd1 O51 C52 26.0(7) . . . . ?
O61 Gd1 O51 C52 -90.6(7) . . . . ?
O1 Gd1 O51 C52 160.3(7) . . . . ?
N11 Gd1 O51 C52 92.1(7) . . . . ?
N21 Gd1 O51 C52 149.3(7) . . . . ?
O66 Gd1 O56 C55 155.1(8) . . . . ?
O71 Gd1 O56 C55 53.8(8) . . . . ?
O76 Gd1 O56 C55 9.1(9) . . . . ?
O51 Gd1 O56 C55 -25.9(8) . . . . ?
O61 Gd1 O56 C55 105.4(8) . . . . ?
O1 Gd1 O56 C55 -158.3(7) . . . . ?
N11 Gd1 O56 C55 -126.8(8) . . . . ?
N21 Gd1 O56 C55 -79.6(8) . . . . ?
O66 Gd1 O61 C62 -27.7(7) . . . . ?
O71 Gd1 O61 C62 74.3(7) . . . . ?
O76 Gd1 O61 C62 153.8(8) . . . . ?
O56 Gd1 O61 C62 21.9(8) . . . . ?
O51 Gd1 O61 C62 115.7(7) . . . . ?
O1 Gd1 O61 C62 -110.6(8) . . . . ?
N11 Gd1 O61 C62 -67.9(8) . . . . ?
N21 Gd1 O61 C62 -152.2(7) . . . . ?
O71 Gd1 O66 C65 -38.4(9) . . . . ?
O76 Gd1 O66 C65 31.4(11) . . . . ?
O56 Gd1 O66 C65 -107.9(9) . . . . ?
O51 Gd1 O66 C65 -109.4(9) . . . . ?
O61 Gd1 O66 C65 29.1(9) . . . . ?
O1 Gd1 O66 C65 103.7(9) . . . . ?
N11 Gd1 O66 C65 179.2(10) . . . . ?
N21 Gd1 O66 C65 152.8(9) . . . . ?
O66 Gd1 O71 C72 154.9(8) . . . . ?
O76 Gd1 O71 C72 11.4(8) . . . . ?
O56 Gd1 O71 C72 -137.3(8) . . . . ?
O51 Gd1 O71 C72 -63.7(8) . . . . ?
O61 Gd1 O71 C72 87.3(8) . . . . ?
O1 Gd1 O71 C72 79.8(9) . . . . ?
N11 Gd1 O71 C72 -138.1(7) . . . . ?
N21 Gd1 O71 C72 -37.7(9) . . . . ?
O66 Gd1 O76 C75 -85.5(8) . . . . ?
O71 Gd1 O76 C75 -9.1(7) . . . . ?
O56 Gd1 O76 C75 34.9(8) . . . . ?
O51 Gd1 O76 C75 69.5(7) . . . . ?
O61 Gd1 O76 C75 -83.2(7) . . . . ?
O1 Gd1 O76 C75 -153.9(7) . . . . ?
N11 Gd1 O76 C75 142.8(7) . . . . ?
N21 Gd1 O76 C75 138.0(7) . . . . ?
O66 Gd1 N11 C12 -157.4(6) . . . . ?
O71 Gd1 N11 C12 128.2(6) . . . . ?
O76 Gd1 N11 C12 -6.0(7) . . . . ?
O56 Gd1 N11 C12 127.4(6) . . . . ?
O51 Gd1 N11 C12 59.7(6) . . . . ?
O61 Gd1 N11 C12 -117.7(6) . . . . ?
O1 Gd1 N11 C12 -75.4(6) . . . . ?
N21 Gd1 N11 C12 -0.7(5) . . . . ?
O66 Gd1 N11 C16 25.1(7) . . . . ?
O71 Gd1 N11 C16 -49.3(8) . . . . ?
O76 Gd1 N11 C16 176.5(6) . . . . ?
O56 Gd1 N11 C16 -50.1(7) . . . . ?
O51 Gd1 N11 C16 -117.8(7) . . . . ?
O61 Gd1 N11 C16 64.8(7) . . . . ?
O1 Gd1 N11 C16 107.1(7) . . . . ?
N21 Gd1 N11 C16 -178.2(7) . . . . ?
C31 Pt1 N13 C14 -2.9(8) . . . . ?
N23 Pt1 N13 C14 175.1(8) . . . . ?
C31 Pt1 N13 C12 -179.7(6) . . . . ?
N23 Pt1 N13 C12 -1.7(5) . . . . ?
O66 Gd1 N21 C21 30.4(7) . . . . ?
O71 Gd1 N21 C21 -133.4(5) . . . . ?
O76 Gd1 N21 C21 177.8(6) . . . . ?
O56 Gd1 N21 C21 -49.4(6) . . . . ?
O51 Gd1 N21 C21 -105.8(6) . . . . ?
O61 Gd1 N21 C21 125.3(5) . . . . ?
O1 Gd1 N21 C21 82.8(6) . . . . ?
N11 Gd1 N21 C21 1.6(5) . . . . ?
O66 Gd1 N21 C26 -154.7(6) . . . . ?
O71 Gd1 N21 C26 41.5(7) . . . . ?
O76 Gd1 N21 C26 -7.3(6) . . . . ?
O56 Gd1 N21 C26 125.5(6) . . . . ?
O51 Gd1 N21 C26 69.1(6) . . . . ?
O61 Gd1 N21 C26 -59.8(7) . . . . ?
O1 Gd1 N21 C26 -102.4(6) . . . . ?
N11 Gd1 N21 C26 176.4(7) . . . . ?
C41 Pt1 N23 C21 179.6(5) . . . . ?
N13 Pt1 N23 C21 2.6(5) . . . . ?
C41 Pt1 N23 C24 0.2(7) . . . . ?
N13 Pt1 N23 C24 -176.8(7) . . . . ?
C16 N11 C12 N13 0.9(12) . . . . ?
Gd1 N11 C12 N13 -176.8(6) . . . . ?
C16 N11 C12 C21 177.6(7) . . . . ?
Gd1 N11 C12 C21 -0.1(9) . . . . ?
C14 N13 C12 N11 0.2(12) . . . . ?
Pt1 N13 C12 N11 177.5(6) . . . . ?
C14 N13 C12 C21 -176.6(7) . . . . ?
Pt1 N13 C12 C21 0.7(8) . . . . ?
C12 N13 C14 C15 -1.6(12) . . . . ?
Pt1 N13 C14 C15 -178.4(7) . . . . ?
N13 C14 C15 C16 1.9(14) . . . . ?
C12 N11 C16 C15 -0.6(13) . . . . ?
Gd1 N11 C16 C15 177.0(7) . . . . ?
C14 C15 C16 N11 -0.7(15) . . . . ?
C26 N21 C21 N23 -0.6(11) . . . . ?
Gd1 N21 C21 N23 174.5(5) . . . . ?
C26 N21 C21 C12 -177.5(7) . . . . ?
Gd1 N21 C21 C12 -2.3(9) . . . . ?
C24 N23 C21 N21 -0.4(11) . . . . ?
Pt1 N23 C21 N21 -179.9(6) . . . . ?
C24 N23 C21 C12 176.5(7) . . . . ?
Pt1 N23 C21 C12 -3.0(8) . . . . ?
N11 C12 C21 N21 1.6(10) . . . . ?
N13 C12 C21 N21 178.7(7) . . . . ?
N11 C12 C21 N23 -175.5(7) . . . . ?
N13 C12 C21 N23 1.5(10) . . . . ?
C21 N23 C24 C25 0.3(12) . . . . ?
Pt1 N23 C24 C25 179.7(6) . . . . ?
N23 C24 C25 C26 0.8(13) . . . . ?
C21 N21 C26 C25 1.8(12) . . . . ?
Gd1 N21 C26 C25 -173.2(6) . . . . ?
C24 C25 C26 N21 -2.0(13) . . . . ?
C38 C33 C34 C35 0.1(15) . . . . ?
C32 C33 C34 C35 178.1(9) . . . . ?
C33 C34 C35 C36 -1.9(15) . . . . ?
C34 C35 C36 C37 3.0(14) . . . . ?
C34 C35 C36 C39 -177.3(10) . . . . ?
C35 C36 C37 C38 -2.4(13) . . . . ?
C39 C36 C37 C38 178.0(9) . . . . ?
C36 C37 C38 C33 0.6(13) . . . . ?
C34 C33 C38 C37 0.6(13) . . . . ?
C32 C33 C38 C37 -177.4(8) . . . . ?
C35 C36 C39 F392 53.5(16) . . . . ?
C37 C36 C39 F392 -126.9(13) . . . . ?
C35 C36 C39 F393 -67.9(14) . . . . ?
C37 C36 C39 F393 111.8(12) . . . . ?
C35 C36 C39 F391 178.4(10) . . . . ?
C37 C36 C39 F391 -2.0(15) . . . . ?
C48 C43 C44 C45 1.5(18) . . . . ?
C42 C43 C44 C45 176.9(11) . . . . ?
C43 C44 C45 C46 -3(2) . . . . ?
C44 C45 C46 C47 3(2) . . . . ?
C44 C45 C46 C49 179.6(11) . . . . ?
C45 C46 C47 C48 -1(2) . . . . ?
C49 C46 C47 C48 -177.0(10) . . . . ?
C44 C43 C48 C47 0.4(17) . . . . ?
C42 C43 C48 C47 -175.0(11) . . . . ?
C46 C47 C48 C43 -1(2) . . . . ?
Gd1 O51 C52 C54 -19.2(13) . . . . ?
Gd1 O51 C52 C53 160.9(5) . . . . ?
O51 C52 C53 F531 59.0(10) . . . . ?
C54 C52 C53 F531 -120.9(9) . . . . ?
O51 C52 C53 F532 -61.7(10) . . . . ?
C54 C52 C53 F532 118.5(10) . . . . ?
O51 C52 C53 F533 179.0(7) . . . . ?
C54 C52 C53 F533 -0.9(12) . . . . ?
O51 C52 C54 C55 -4.4(15) . . . . ?
C53 C52 C54 C55 175.4(8) . . . . ?
Gd1 O56 C55 C54 18.4(14) . . . . ?
Gd1 O56 C55 C57 -163.2(7) . . . . ?
C52 C54 C55 O56 5.1(15) . . . . ?
C52 C54 C55 C57 -173.2(9) . . . . ?
O56 C55 C57 F572 44.9(15) . . . . ?
C54 C55 C57 F572 -136.6(12) . . . . ?
O56 C55 C57 F571 172.2(10) . . . . ?
C54 C55 C57 F571 -9.3(15) . . . . ?
O56 C55 C57 F573 -72.4(12) . . . . ?
C54 C55 C57 F573 106.1(12) . . . . ?
Gd1 O61 C62 C64 21.4(15) . . . . ?
Gd1 O61 C62 C63 -156.5(6) . . . . ?
O61 C62 C63 F31' -174.2(9) . . . . ?
C64 C62 C63 F31' 7.7(16) . . . . ?
O61 C62 C63 F32 -45.0(14) . . . . ?
C64 C62 C63 F32 136.8(11) . . . . ?
O61 C62 C63 F33' 75.1(11) . . . . ?
C64 C62 C63 F33' -103.0(12) . . . . ?
O61 C62 C63 F32' -21.3(13) . . . . ?
C64 C62 C63 F32' 160.6(10) . . . . ?
O61 C62 C63 F33 115.0(10) . . . . ?
C64 C62 C63 F33 -63.2(13) . . . . ?
O61 C62 C63 F31 -141.1(8) . . . . ?
C64 C62 C63 F31 40.7(12) . . . . ?
O61 C62 C64 C65 1.7(18) . . . . ?
C63 C62 C64 C65 179.5(10) . . . . ?
Gd1 O66 C65 C64 -23.0(18) . . . . ?
Gd1 O66 C65 C67 161.2(5) . . . . ?
C62 C64 C65 O66 -1.9(19) . . . . ?
C62 C64 C65 C67 173.8(9) . . . . ?
Gd1 O71 C72 C74 -10.9(14) . . . . ?
Gd1 O71 C72 C73 170.2(6) . . . . ?
O71 C72 C73 F731 -152.1(9) . . . . ?
C74 C72 C73 F731 28.8(13) . . . . ?
O71 C72 C73 F732 -31.5(13) . . . . ?
C74 C72 C73 F732 149.4(9) . . . . ?
O71 C72 C73 F733 86.5(10) . . . . ?
C74 C72 C73 F733 -92.6(11) . . . . ?
O71 C72 C74 C75 1.7(15) . . . . ?
C73 C72 C74 C75 -179.3(9) . . . . ?
Gd1 O76 C75 C74 6.3(14) . . . . ?
Gd1 O76 C75 C77 -174.5(6) . . . . ?
C72 C74 C75 O76 0.5(16) . . . . ?
C72 C74 C75 C77 -178.7(9) . . . . ?
O76 C75 C77 F773 149.4(9) . . . . ?
C74 C75 C77 F773 -31.3(13) . . . . ?
O76 C75 C77 F772 28.3(12) . . . . ?
C74 C75 C77 F772 -152.4(9) . . . . ?
O76 C75 C77 F771 -89.8(10) . . . . ?
C74 C75 C77 F771 89.5(11) . . . . ?
C106 C101 C102 C103 3(2) . . . . ?
C101 C102 C103 C104 -4(2) . . . . ?
C102 C103 C104 C105 3(2) . . . . ?
C103 C104 C105 C106 -1(2) . . . . ?
C104 C105 C106 C101 -0.5(17) . . . . ?
C102 C101 C106 C105 -0.8(17) . . . . ?
F32 C63 F31' F33' 106.5(12) . . . . ?
F32' C63 F31' F33' 91.7(13) . . . . ?
F33 C63 F31' F33' -12.7(4) . . . . ?
C62 C63 F31' F33' -116.9(14) . . . . ?
F31 C63 F31' F33' 164.9(5) . . . . ?
F31' C63 F32' F33' -97.7(13) . . . . ?
F32 C63 F32' F33' -140.2(7) . . . . ?
F33 C63 F32' F33' -25.8(4) . . . . ?
C62 C63 F32' F33' 110.1(12) . . . . ?
F31 C63 F32' F33' -129.8(11) . . . . ?
F31' C63 F33' F32' 120.4(11) . . . . ?
F32 C63 F33' F32' 14.0(3) . . . . ?
F33 C63 F33' F32' 139.3(6) . . . . ?
C62 C63 F33' F32' -115.9(11) . . . . ?
F31 C63 F33' F32' 110.3(13) . . . . ?
F32 C63 F33' F31' -106.4(12) . . . . ?
F32' C63 F33' F31' -120.4(11) . . . . ?
F33 C63 F33' F31' 18.9(7) . . . . ?
C62 C63 F33' F31' 123.7(13) . . . . ?
F31 C63 F33' F31' -10.2(3) . . . . ?
C63 F32' F33' F31' 33.6(8) . . . . ?
C63 F31' F33' F32' -41.9(9) . . . . ?
C47 C46 C49 F92' 135.7(14) . . . . ?
C45 C46 C49 F92' -40.2(17) . . . . ?
C47 C46 C49 F93 32.8(15) . . . . ?
C45 C46 C49 F93 -143.1(11) . . . . ?
C47 C46 C49 F91 -95.8(14) . . . . ?
C45 C46 C49 F91 88.3(12) . . . . ?
C47 C46 C49 F92 164.2(12) . . . . ?
C45 C46 C49 F92 -11.7(14) . . . . ?
C47 C46 C49 F91' -71.6(14) . . . . ?
C45 C46 C49 F91' 112.5(11) . . . . ?
C47 C46 C49 F93' 13.1(15) . . . . ?
C45 C46 C49 F93' -162.8(10) . . . . ?
F72 F71 C67 F72' -25.6(2) . . . . ?
F72 F71 C67 F73 -103.6(4) . . . . ?
F72 F71 C67 F71' -159.71(8) . . . . ?
F72 F71 C67 F73' -121.6(3) . . . . ?
F72 F71 C67 C65 121.9(5) . . . . ?
F71 F72 C67 F72' 146.0(3) . . . . ?
F71 F72 C67 F73 119.2(4) . . . . ?
F71 F72 C67 F71' 6.8 . . . . ?
F71 F72 C67 F73' 99.3(4) . . . . ?
F71 F72 C67 C65 -124.9(5) . . . . ?
O66 C65 C67 F71 53.5(10) . . . . ?
C64 C65 C67 F71 -122.8(9) . . . . ?
O66 C65 C67 F72' -155.7(8) . . . . ?
C64 C65 C67 F72' 28.1(11) . . . . ?
O66 C65 C67 F73 -85.9(9) . . . . ?
C64 C65 C67 F73 97.8(10) . . . . ?
O66 C65 C67 F72 160.0(7) . . . . ?
C64 C65 C67 F72 -16.3(11) . . . . ?
O66 C65 C67 F71' 32.7(10) . . . . ?
C64 C65 C67 F71' -143.6(9) . . . . ?
O66 C65 C67 F73' -58.5(9) . . . . ?
C64 C65 C67 F73' 125.2(9) . . . . ?
